1′-Acetoxychavicol acetate
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1′-Acetoxychavicol acetate
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CAS No:
52946-22-2
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Formula:
C13H14O4
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Chemical Name:
1′-Acetoxychavicol acetate
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Synonyms:
Benzenemethanol,4-(acetyloxy)-α-ethenyl-,1-acetate,(αS)-;Benzenemethanol,4-(acetyloxy)-α-ethenyl-,acetate,(S)-;Benzenemethanol,4-(acetyloxy)-α-ethenyl-,acetate,(αS)-;1′-Acetoxychavicol acetate;Galangal acetate;(1′S)-1′-Acetoxychavicol acetate
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CAS No:
Description
ChEBI: An acetate ester that is chavicol acetate substituted by an acetoxy group at position 1'.
1'-acetoxychavicol acetate is an acetate ester that is chavicol acetate substituted by an acetoxy group at position 1'. It has a role as a plant metabolite, a NF-kappaB inhibitor and an antineoplastic agent. It is an acetate ester and a phenylpropanoid. It derives from a chavicol.
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:234.25
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:234.08920892
Monoisotopic Mass:234.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:17
Complexity:290
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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